ethyl 1-[[5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(5-methyl-2-thienyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(5-methyl-2-thiophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-keto-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H24N3O3S2+ MolecularWeight: 418.55286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=C(S4)C)C(=O)N2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=C(S4)C)C(=O)N2

InChI

InChI=1S/C20H23N3O3S2/c1-3-26-20(25)13-6-8-23(9-7-13)10-16-21-18(24)17-14(11-27-19(17)22-16)15-5-4-12(2)28-15/h4-5,11,13H,3,6-10H2,1-2H3,(H,21,22,24)/p+1